Detailed information for compound 106436

Basic information

Technical information
  • TDR Targets ID: 106436
  • Name: 9-cyclopentylpurin-6-amine
  • MW: 203.244 | Formula: C10H13N5
  • H donors: 1 H acceptors: 3 LogP: 0.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc2c1ncn2C1CCCC1
  • InChi: 1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
  • InChiKey: KTJWHJNBTXITCB-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 9-cyclopentyl-6-purinamine
  • (9-cyclopentylpurin-6-yl)amine
  • 715-91-3
  • 9-Cyclopentyladenine
  • 9H-Purin-6-amine, 9-cyclopentyl-
  • Adenine, 9-cyclopentyl-
  • NSC19486
  • 9-Cyclopentyl-9H-adenine
  • 9-Cyclopentyl-9H-purin-1-amine
  • 9H-ADENINE, 9-CYCLOPENTYL-
  • 9H-Purin-1-amine, 9-cyclopentyl- (9CI)
  • 9H-Purin-6-amine, 9-cyclopentyl- (9CI)
  • Adenine, 9-cyclopentyl- (8CI)
  • BRN 0211535
  • NSC 19486
  • Lopac0_000273
  • 5-26-16-00147 (Beilstein Handbook Reference)
  • 6-Amino-9-cyclopentylpurine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens adenosine A2a receptor Starlite/ChEMBL References
Rattus norvegicus Adenosine A2 receptor Starlite/ChEMBL References
Homo sapiens phosphatidylinositol 4-kinase, catalytic, beta References
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens phosphatidylinositol 4-kinase type 2 alpha References
Homo sapiens adenosine A3 receptor Starlite/ChEMBL References
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens adenosine A1 receptor Starlite/ChEMBL References
Homo sapiens phosphatidylinositol 4-kinase, catalytic, alpha Starlite/ChEMBL References
Homo sapiens phosphatidylinositol 4-kinase type 2 beta References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Theileria parva phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Plasmodium falciparum phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans Phosphatidylinositol-4-kinase. Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum ko:K00888 phosphatidylinositol 4-kinase [EC2.7.1.67], putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans Phosphatidylinositol-4-kinase. Get druggable targets OG5_128362 All targets in OG5_128362
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans regulation of actin cytoskeletal organization Get druggable targets OG5_129656 All targets in OG5_129656
Leishmania mexicana phosphatidylinositol-kinase domain protein, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma brucei gambiense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Onchocerca volvulus Get druggable targets OG5_129656 All targets in OG5_129656
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_129656 All targets in OG5_129656
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129656 All targets in OG5_129656
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide Get druggable targets OG5_128362 All targets in OG5_128362
Plasmodium berghei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania major phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans phosphatidyl inositol kinase at the alpha mating type-like locus in C. albicans Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_129656 All targets in OG5_129656
Echinococcus multilocularis Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_129656 All targets in OG5_129656
Toxoplasma gondii 1-phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni phosphatidylinositol 4-kinase type-II Get druggable targets OG5_129656 All targets in OG5_129656
Onchocerca volvulus Get druggable targets OG5_129656 All targets in OG5_129656
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania donovani phosphatidylinositol-kinase domain protein, putative Get druggable targets OG5_128362 All targets in OG5_128362
Plasmodium yoelii phosphatidylinositol 4-kinase-related Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma brucei gambiense phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127682 All targets in OG5_127682
Entamoeba histolytica phosphatidylinositol 4-kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Echinococcus granulosus phosphatidylinositol 4 kinase alpha Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma mansoni phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma congolense phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma japonicum expressed protein Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium vivax phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 Get druggable targets OG5_128362 All targets in OG5_128362
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Neospora caninum hypothetical protein Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma congolense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Toxoplasma gondii phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphatidylinositol kinase Get druggable targets OG5_129656 All targets in OG5_129656
Brugia malayi hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans regulation of actin cytoskeletal organization Get druggable targets OG5_129656 All targets in OG5_129656
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_129656 All targets in OG5_129656
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127682 All targets in OG5_127682
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Neospora caninum hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans phosphatidyl inositol kinase-like orf at the a mating type-like locus in C. albicans Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania infantum phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Babesia bovis phosphatidylinositol 4 kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Giardia lamblia Phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00888 phosphatidylinositol 4-kinase [EC2.7.1.67], putative Get druggable targets OG5_127682 All targets in OG5_127682
Echinococcus granulosus phosphatidylinositol 4 kinase beta Get druggable targets OG5_127682 All targets in OG5_127682
Cryptosporidium hominis phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Cryptosporidium parvum phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania donovani phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania braziliensis phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma mansoni phosphatidylinositol 4-kinase Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Adenosine A2 receptor   410 aa 366 aa 25.4 %
Onchocerca volvulus Adenosine A2 receptor   410 aa 337 aa 23.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Schistosoma mansoni biogenic amine (5HT) receptor Adenosine A2 receptor   410 aa 399 aa 28.1 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Brugia malayi hypothetical protein adenosine A1 receptor 326 aa 305 aa 21.0 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Adenosine A2 receptor   410 aa 346 aa 28.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Adenosine A2 receptor   410 aa 340 aa 27.9 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Onchocerca volvulus Adenosine A2 receptor   410 aa 356 aa 23.9 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00623249 0.0801812 0.0801812
Loa Loa (eye worm) phosphatidylinositol 3 0.00623249 0.0801812 0.0801812
Mycobacterium leprae conserved hypothetical protein 0.00385154 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.00782512 0.133815 0.133815
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00623249 0.0801812 0.47335
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.00623249 0.0801812 0.0801812
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.00888155 0.169391 0.465049
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00888155 0.169391 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00623249 0.0801812 0.0801812
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0335462 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00623249 0.0801812 0.47335
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.00623249 0.0801812 0.47335
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Mycobacterium tuberculosis Conserved hypothetical protein 0.00385154 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.00906271 0.175492 0.175492
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0146676 0.364244 0.364244
Toxoplasma gondii 1-phosphatidylinositol 4-kinase 0.00397358 0.00410984 0.0192052
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00623249 0.0801812 0.0801812
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00623249 0.0801812 0.47335
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.00888155 0.169391 0.169391
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.00795961 0.138344 0.138344
Toxoplasma gondii phosphatidylinositol 4-kinase 0.00397358 0.00410984 0.0192052
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00623249 0.0801812 0.47335
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00623249 0.0801812 0.0801812
Loa Loa (eye worm) hypothetical protein 0.00623249 0.0801812 0.0801812
Onchocerca volvulus 0.0335462 1 0.5
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Loa Loa (eye worm) phosphatidylinositol kinase 0.0335462 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.00623249 0.0801812 0.456894
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.00906271 0.175492 0.175492
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00888155 0.169391 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.00906271 0.175492 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.00795961 0.138344 0.138344
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.00782512 0.133815 0.789975
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.00623249 0.0801812 0.0801812
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.00795961 0.138344 0.138344
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.00888155 0.169391 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0335462 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00623249 0.0801812 0.374686
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0100116 0.207447 0.969396
Plasmodium falciparum phosphatidylinositol 4-kinase 0.00782512 0.133815 1
Echinococcus multilocularis 0.00782512 0.133815 0.133815
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.00906271 0.175492 0.175492
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0335462 1 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.00623249 0.0801812 0.0801812
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.00623249 0.0801812 0.0801812
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00623249 0.0801812 0.47335
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0102061 0.213996 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0335462 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.00888155 0.169391 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.00782512 0.133815 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.47335
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.00795961 0.138344 0.138344
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.00906271 0.175492 0.175492
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00623249 0.0801812 0.47335
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00623249 0.0801812 0.47335
Schistosoma mansoni phosphatidylinositol 4-kinase 0.00782512 0.133815 0.133815
Echinococcus multilocularis Zinc finger, PHD finger 0.00623249 0.0801812 0.0801812
Leishmania major phosphatidylinositol 4-kinase, putative 0.00782512 0.133815 0.367377
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.00623249 0.0801812 0.47335
Schistosoma mansoni phosphatidylinositol 4-kinase 0.00888155 0.169391 0.169391
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.00782512 0.133815 0.789975
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00623249 0.0801812 0.47335
Loa Loa (eye worm) hypothetical protein 0.0335462 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.00906271 0.175492 0.175492
Echinococcus granulosus sodium channel protein 0.0146676 0.364244 0.364244
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.00782512 0.133815 0.789975
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.00888155 0.169391 0.169391
Echinococcus multilocularis sodium channel protein 0.0146676 0.364244 0.364244
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0146676 0.364244 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0335462 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00782512 0.133815 0.133815
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.599196
Onchocerca volvulus 0.0335462 1 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00623249 0.0801812 0.0801812
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0335462 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0335462 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00650059 0.0892098 0.416876
Giardia lamblia Phosphatidylinositol 4-kinase 0.00782512 0.133815 0.762513
Entamoeba histolytica hypothetical protein 0.00623249 0.0801812 0.47335
Loa Loa (eye worm) hypothetical protein 0.00906271 0.175492 0.175492
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.00623249 0.0801812 0.47335
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.00888155 0.169391 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0335462 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.00623249 0.0801812 0.0801812
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.00888155 0.169391 0.169391
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.00623249 0.0801812 0.47335
Plasmodium falciparum phosphatidylinositol 3-kinase 0.00623249 0.0801812 0.599196
Leishmania major phosphatidylinositol 3-kinase, putative 0.00623249 0.0801812 0.220131
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00888155 0.169391 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00623249 0.0801812 0.0801812
Loa Loa (eye worm) phosphatidylinositol 3 0.0335462 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00623249 0.0801812 0.47335
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.00782512 0.133815 0.133815
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.00888155 0.169391 0.169391

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (binding) = 8.7 uM Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site ChEMBL. 2165159
IC50 (binding) = 8.7 uM Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the ATP binding site ChEMBL. 2165159
k' (ADMET) = 1.94 Hydrophobicity index ChEMBL. 1895305
Ki (binding) = 1.8 uM Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand ChEMBL. 1895305
Ki (binding) = 1.8 uM Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand ChEMBL. 1895305
Ki (binding) = 1.8 uM Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells ChEMBL. 19282184
Ki (binding) = 3.4 uM Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand ChEMBL. 1895305
Ki (binding) = 3.4 uM Tested for inhibition of rat PC12 adenylate cyclase stimulation by using NECA as a radioligand ChEMBL. 1895305
Ki (binding) = 6 uM Binding affinity (Ki) against human phosphatidylinositol 4-kinase ChEMBL. 2165159
Ki (binding) = 6 uM Binding affinity (Ki) against human phosphatidylinositol 4-kinase ChEMBL. 2165159
Ki (binding) = 8.2 uM Binding affinity against adenosine A2 receptor in rat striatum by using [3H]-NECA as a radioligand ChEMBL. 1895305
Ki (binding) = 8.2 uM Binding affinity against adenosine A2 receptor in rat striatum by using [3H]-NECA as a radioligand ChEMBL. 1895305
Ki (binding) = 10 uM Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells ChEMBL. 19282184
Ki (binding) = 13 uM Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells ChEMBL. 19282184
Ki (functional) > 30 uM Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity ChEMBL. 19282184
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida albicans 10145 after 2 to 5 days by tube dilution method ChEMBL. 19150600
MIC (functional) = 50 ug ml-1 Antibacterial activity against Escherichia coli 25922 after 18 to 24 hrs by tube dilution method ChEMBL. 19150600
Potency (functional) 0.012 uM PUBCHEM_BIOASSAY: qHTS Validation Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 2.31 uM PUBCHEM_BIOASSAY: Validation screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493143, AID504466] ChEMBL. No reference
Potency (functional) 29.9349 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Selectivity ratio (binding) = 4.6 It is the ratio of Ki value of A1 receptor to that of A2 receptor. ChEMBL. 1895305

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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